Chemical Properties of Benzene, hexaethyl- (CAS 604-88-6)

Benzene, hexaethyl-

InChI
InChI=1S/C18H30/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h7-12H2,1-6H3
InChI Key
LXSMILGNHYBUCG-UHFFFAOYSA-N
Formula
C18H30
SMILES
CCc1c(CC)c(CC)c(CC)c(CC)c1CC
Molecular Weight1
246.43
CAS
604-88-6
Other Names
  • Hexaetenzee
  • Hexaethylbenzene
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Physical Properties

Property Value Unit Source
ω 0.6980 KDB
ΔcH°solid -11026.60 ± 5.60 kJ/mol NIST
ΔfusH° 34.47 kJ/mol Joback Calculated Property
ΔsubH° 41.30 ± 0.92 kJ/mol NIST
ΔvapH° 84.49 kJ/mol Relay (1.0) Calculated Property
IE 7.71 eV NIST
logPoct/wat 5.061 Crippen Calculated Property
McVol 240.720 ml/mol McGowan Calculated Property
Pc 1380.00 kPa KDB
Inp [1658.00; 1706.00]   Show Hide
Inp 1706.00 NIST
Inp 1682.00 NIST
Inp 1699.00 NIST
Inp 1682.00 NIST
Inp 1658.00 NIST
Inp 1689.00 NIST
Inp 1682.00 NIST
Inp 1682.00 NIST
Inp 1658.00 NIST
Inp 1699.00 NIST
Tboil [571.20; 571.20] K Show Hide
Tboil 571.20 K KDB
Tboil 571.20 K NIST
Tc 734.80 K KDB
Tfus [400.00; 402.30] K Show Hide
Tfus 402.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 401.00 K KDB
Tfus 402.30 ± 1.00 K NIST
Tfus 400.00 ± 2.00 K NIST
Tfus 401.65 ± 1.00 K NIST
Vc 0.935 m3/kmol KDB
Zc 0.2113090 KDB

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH 95.00 ± 4.00 kJ/mol 339.50 NIST
ΔvapH 62.60 kJ/mol 489.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [342.83; 814.24] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.41160e+01
Coefficient B1.33752e+00
Coefficient C-6.51400e-04
Coefficient D1.04000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 342.83 J/mol×K 273.00 Calculated Property
Cp,gas 420.38 J/mol×K 353.78 Calculated Property
Cp,gas 490.87 J/mol×K 434.56 Calculated Property
Cp,gas 554.63 J/mol×K 515.33 Calculated Property
Cp,gas 611.98 J/mol×K 596.11 Calculated Property
Cp,gas 663.27 J/mol×K 676.89 Calculated Property
Cp,gas 708.80 J/mol×K 757.67 Calculated Property
Cp,gas 748.92 J/mol×K 838.44 Calculated Property
Cp,gas 783.96 J/mol×K 919.22 Calculated Property
Cp,gas 814.24 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0006820; 0.0002572] Pa×s [401.42; 514.36] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.17309e+01
Coefficient B1.78244e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.401.42
Temperature range, max.514.36
η 0.0006820 Pa×s 401.42 Calculated Property
η 0.0005961 Pa×s 413.97 Calculated Property
η 0.0005251 Pa×s 426.52 Calculated Property
η 0.0004660 Pa×s 439.07 Calculated Property
η 0.0004163 Pa×s 451.62 Calculated Property
η 0.0003742 Pa×s 464.16 Calculated Property
η 0.0003382 Pa×s 476.71 Calculated Property
η 0.0003073 Pa×s 489.26 Calculated Property
η 0.0002805 Pa×s 501.81 Calculated Property
η 0.0002572 Pa×s 514.36 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.31; 201.52] kPa [423.15; 606.15] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.55137e+01
Coefficient B-5.65320e+03
Coefficient C-5.23390e+01
Temperature range, min.423.15
Temperature range, max.606.15
Pvap 1.31 kPa 423.15 Calculated Property
Pvap 2.89 kPa 443.48 Calculated Property
Pvap 5.90 kPa 463.82 Calculated Property
Pvap 11.27 kPa 484.15 Calculated Property
Pvap 20.30 kPa 504.48 Calculated Property
Pvap 34.77 kPa 524.82 Calculated Property
Pvap 56.96 kPa 545.15 Calculated Property
Pvap 89.74 kPa 565.48 Calculated Property
Pvap 136.57 kPa 585.82 Calculated Property
Pvap 201.52 kPa 606.15 Calculated Property
Pvap [1.54; 150.61] kPa [427.00; 591.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A7.60815e+01
Coefficient B-1.05315e+04
Coefficient C-8.50968e+00
Coefficient D3.03545e-06
Coefficient E0.00000e+00
Temperature range, min.427.00
Temperature range, max.591.00
Pvap 1.54 kPa 427.00 Calculated Property
Pvap 3.10 kPa 445.22 Calculated Property
Pvap 5.88 kPa 463.44 Calculated Property
Pvap 10.53 kPa 481.67 Calculated Property
Pvap 17.99 kPa 499.89 Calculated Property
Pvap 29.44 kPa 518.11 Calculated Property
Pvap 46.40 kPa 536.33 Calculated Property
Pvap 70.71 kPa 554.56 Calculated Property
Pvap 104.58 kPa 572.78 Calculated Property
Pvap 150.61 kPa 591.00 Calculated Property
Pvap [0.67; 101.64] kPa [407.50; 571.40] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.52610e+01
Coefficient B-5.43579e+03
Coefficient C-6.04980e+01
ReferenceStull, 1947
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.407.50
Temperature range, max.571.40
Pvap 0.67 kPa 407.50 Calculated Property
Pvap 1.46 kPa 425.71 Calculated Property
Pvap 2.96 kPa 443.92 Calculated Property
Pvap 5.62 kPa 462.13 Calculated Property
Pvap 10.11 kPa 480.34 Calculated Property
Pvap 17.33 kPa 498.56 Calculated Property
Pvap 28.43 kPa 516.77 Calculated Property
Pvap 44.91 kPa 534.98 Calculated Property
Pvap 68.59 kPa 553.19 Calculated Property
Pvap 101.64 kPa 571.40 Calculated Property

Similar Compounds

Benzene, 1,2-diethyl-3,4,5,6-tetramethyl-. [2.2.2.2.2.2](1,2,3,4,5,6)Cyclophane. Tricyclobutenobenzene. Tricyclo[8.2.2.2<sup>4,4</sup>]hexadeca-5,6,10,12,13,15-hexaene, 5,6,11,12,13,14,15-octamethyl-. Benzene, hexapropyl-. Pentaethylbenzene. benzene, 1,2,3,5-tetraethyl-. Benzene, 1-ethyl-2,3,4,5-tetramethyl. 1,2,3,4-tetraethylbenzene. BENZENE, 1,2,4,5-TETRAETHYL-. Benzene, 3-ethyl-1,2,4-trimethyl. Benzene, 1,2-diethyl-3,4-dimethyl-. 1,4-Dimethyl-3,5-diethylbenzene. 1,2-Dimethyl-4,5-diethylbenzene. 1,6-Dimethyl-2,4-diethylbenzene.

Find more compounds similar to Benzene, hexaethyl-.

Sources

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